tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate

C27H60N6O8S2 — CID 159293264

IUPACtert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C.CN(C)S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O4S.C13H29N3O4S/c1-13(2,3)11(15-12(18)21-14(4,5)6)10-17(9)22(19,20)16(7)8;1-12(2,3)10(9-14-21(18,19)16(7)8)15-11(17)20-13(4,5)6/h11H,10H2,1-9H3,(H,15,18);10,14H,9H2,1-8H3,(H,15,17)/t11-;10-/m11/s1
InChIKeyLAJWHVXXEXIIRH-OYVFXSTNSA-N
MW660.95 g/mol
LogP2.99
Rot. Bonds10

About tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate

tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 159293264) has the molecular formula C27H60N6O8S2 and a molecular weight of 660.95 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate
PubChem CID159293264
Molecular FormulaC27H60N6O8S2
Molecular Weight660.95 g/mol
Exact Mass660.39
IUPAC Nametert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C.CN(C)S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O4S.C13H29N3O4S/c1-13(2,3)11(15-12(18)21-14(4,5)6)10-17(9)22(19,20)16(7)8;1-12(2,3)10(9-14-21(18,19)16(7)8)15-11(17)20-13(4,5)6/h11H,10H2,1-9H3,(H,15,18);10,14H,9H2,1-8H3,(H,15,17)/t11-;10-/m11/s1
InChIKeyLAJWHVXXEXIIRH-OYVFXSTNSA-N
XLogP2.99
TPSA166.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.95
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
CID 143025368
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-[(2S)-1-[acetyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate;N-[(2S)-2-(chloroamino)-3,3-dimethylbutyl]-N-methylacetamide
CID 161192064
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
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tert-butyl N-[(2R)-1-(2-bromoethoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 91601633
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
CID 110315317
tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
CID 103913962
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
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tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate (CID 159293264) is tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate is CN(C)S(=O)(=O)N(C)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C.CN(C)S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is LAJWHVXXEXIIRH-OYVFXSTNSA-N. The full InChI is InChI=1S/C14H31N3O4S.C13H29N3O4S/c1-13(2,3)11(15-12(18)21-14(4,5)6)10-17(9)22(19,20)16(7)8;1-12(2,3)10(9-14-21(18,19)16(7)8)15-11(17)20-13(4,5)6/h11H,10H2,1-9H3,(H,15,18);10,14H,9H2,1-8H3,(H,15,17)/t11-;10-/m11/s1.
What are the key properties of tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 660.95 g/mol, XLogP of 2.99, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(dimethylsulfamoylamino)-3,3-dimethylbutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[dimethylsulfamoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 159293264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).